1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C22H20F2N6OS — CID 157371037

IUPAC1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H20F2N6OS/c1-29-19(15(11-25-29)22-26-16(12-32-22)20(23)24)17(31)9-13-7-8-30-18(10-13)27-21(28-30)14-5-3-2-4-6-14/h2-6,11-13,20H,7-10H2,1H3
InChIKeyBDPFRDUAVBEQRZ-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.58
Rot. Bonds6

About 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 157371037) has the molecular formula C22H20F2N6OS and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID157371037
Molecular FormulaC22H20F2N6OS
Molecular Weight454.51 g/mol
Exact Mass454.14
IUPAC Name1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H20F2N6OS/c1-29-19(15(11-25-29)22-26-16(12-32-22)20(23)24)17(31)9-13-7-8-30-18(10-13)27-21(28-30)14-5-3-2-4-6-14/h2-6,11-13,20H,7-10H2,1H3
InChIKeyBDPFRDUAVBEQRZ-UHFFFAOYSA-N
XLogP4.58
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone with MolForge

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Related Compounds

US9777000, Example 1.3
CID 78322329
US9777000, Example 1.4
CID 78322330
US9777000, Example 1.5
CID 78322331
US9777000, Example 2.29
CID 90383082
US9777000, Example 3.6
CID 90383084
US9777000, Example 2.28
CID 90383087
US9777000, Example 5.17
CID 90383090
US9777000, Example 5.28
CID 90383099
US9777000, Example 5.32
CID 90383101
US9777000, Example 3.12
CID 90383106
US9777000, Example 3.15
CID 90383115
US9777000, Example 5.29
CID 90383121

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 157371037) is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.
What is the InChIKey of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is BDPFRDUAVBEQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6OS/c1-29-19(15(11-25-29)22-26-16(12-32-22)20(23)24)17(31)9-13-7-8-30-18(10-13)27-21(28-30)14-5-3-2-4-6-14/h2-6,11-13,20H,7-10H2,1H3.
What are the key properties of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 454.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 157371037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).